2-methyl-N-(1-propylpyrazol-4-yl)-2-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide

C17H24N4OS — CID 136562597

IUPAC2-methyl-N-(1-propylpyrazol-4-yl)-2-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
SMILESCCCn1cc(NC(=O)N2CCCC2(C)Cc2cccs2)cn1
InChIInChI=1S/C17H24N4OS/c1-3-8-20-13-14(12-18-20)19-16(22)21-9-5-7-17(21,2)11-15-6-4-10-23-15/h4,6,10,12-13H,3,5,7-9,11H2,1-2H3,(H,19,22)
InChIKeyCSMSCJVKZCHSOW-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.98
Rot. Bonds5

About 2-methyl-N-(1-propylpyrazol-4-yl)-2-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide

2-methyl-N-(1-propylpyrazol-4-yl)-2-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 136562597) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 2-methyl-N-(1-propylpyrazol-4-yl)-2-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(1-propylpyrazol-4-yl)-2-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID136562597
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name2-methyl-N-(1-propylpyrazol-4-yl)-2-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
SMILESCCCn1cc(NC(=O)N2CCCC2(C)Cc2cccs2)cn1
InChIInChI=1S/C17H24N4OS/c1-3-8-20-13-14(12-18-20)19-16(22)21-9-5-7-17(21,2)11-15-6-4-10-23-15/h4,6,10,12-13H,3,5,7-9,11H2,1-2H3,(H,19,22)
InChIKeyCSMSCJVKZCHSOW-UHFFFAOYSA-N
XLogP3.98
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-2-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 136563312
1-propyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine;hydrochloride
CID 126967736
1-[2-methyl-2-(thiophen-2-ylmethyl)pyrrolidin-1-yl]-2-(4,5,6,7-tetrahydrobenzotriazol-1-yl)ethanone
CID 136566094
(2S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 94031880
(2S)-2-(methoxymethyl)-2-propyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 99842418
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]-2-thiophen-2-ylacetamide
CID 94811903
2-ethyl-1-(thiophen-2-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 83071359
1-ethyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1-(thiophen-2-ylmethyl)urea
CID 71867121
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 60782178
2-[4-[(4,4-dimethylazepane-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 65282174
1-[(1-ethylpyrazol-4-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63123727
(4R)-4-hydroxy-3,3,4-trimethyl-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide
CID 133110763

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-propylpyrazol-4-yl)-2-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-methyl-N-(1-propylpyrazol-4-yl)-2-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide (CID 136562597) is 2-methyl-N-(1-propylpyrazol-4-yl)-2-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-methyl-N-(1-propylpyrazol-4-yl)-2-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-methyl-N-(1-propylpyrazol-4-yl)-2-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide is CCCn1cc(NC(=O)N2CCCC2(C)Cc2cccs2)cn1.
What is the InChIKey of 2-methyl-N-(1-propylpyrazol-4-yl)-2-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is CSMSCJVKZCHSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-3-8-20-13-14(12-18-20)19-16(22)21-9-5-7-17(21,2)11-15-6-4-10-23-15/h4,6,10,12-13H,3,5,7-9,11H2,1-2H3,(H,19,22).
What are the key properties of 2-methyl-N-(1-propylpyrazol-4-yl)-2-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide?
2-methyl-N-(1-propylpyrazol-4-yl)-2-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 332.47 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-propylpyrazol-4-yl)-2-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 136562597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).